methyl 3-(2-chloroethyl)-4-(methoxymethyl)-2-methyl-6-oxidanyl-5-propyl-benzoate

Systemtic Name: methyl 3-(2-chloroethyl)-4-(methoxymethyl)-2-methyl-6-oxidanyl-5-propyl-benzoate Openeye Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-propyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-propylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-propylbenzoate Traditional Name: 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-propyl-benzoic acid methyl ester Formula: C16H23ClO4 MolecularWeight: 314.80442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1COC)CCCl)C)C(=O)OC)O

Isomeric SMILES

CCCC1=C(C(=C(C(=C1COC)CCCl)C)C(=O)OC)O

InChI

InChI=1S/C16H23ClO4/c1-5-6-12-13(9-20-3)11(7-8-17)10(2)14(15(12)18)16(19)21-4/h18H,5-9H2,1-4H3